Geometry & MOs

Info

ID:	269725
PubChem CID:	103618822
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-110.72
Dipole, Da:	0.58
IP(EA), eV:	-9.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2,4-dihydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations